Information card for entry 4319851

Structure parameters

• Formula: C49 H40 Cl2 N4 Ni O2
• Calculated formula: C49 H40 Cl2 N4 Ni O2
• Title of publication: Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes
• Authors of publication: Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3149 - 3153
• a: 12.384 ± 0.001 Å
• b: 13.484 ± 0.001 Å
• c: 14.285 ± 0.001 Å
• α: 66.612 ± 0.008°
• β: 71.521 ± 0.008°
• γ: 79.266 ± 0.008°
• Cell volume: 2071.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 1.747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No